1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-phenylpropan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S970-0745 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C22 H22 F2 N4 O |
| Smiles: | C(Cc1ccccc1)C(N1CC(C[C@H]1c1nncn1Cc1ccccc1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4004 |
| logD: | 3.4004 |
| logSw: | -3.4826 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.437 |
| InChI Key: | PBLCMZGZCWGLTQ-LJQANCHMSA-N |